SCHEMBL4556675

SCHEMBL4556675

Cc1cncc(-c2cccc([C@@]3(C4CC4)NC(=N)N(C)C3=O)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.59
BACE2 Q9Y5Z0 9/20 0.59
KCNH2 Q12809 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7543798 1.00 BACE1 (0.59) BACE1BACE2KCNH2
SCHEMBL13724802 0.89 BACE1 (0.44) BACE1BACE2
SCHEMBL8265449 0.89 BACE1 (0.51) BACE1BACE2KCNH2
SCHEMBL7539382 0.89 BACE1 (0.60) BACE1BACE2
SCHEMBL7560497 0.89 BACE1 (0.60) BACE1BACE2KCNH2
SCHEMBL7557654 0.89 BACE1 (0.46) BACE1BACE2KCNH2
SCHEMBL7569960 0.89 BACE1 (0.46) BACE1BACE2KCNH2
SCHEMBL7537582 0.89 BACE1 (0.46) BACE1BACE2KCNH2
SCHEMBL14105194 0.89 BACE1 (0.46) BACE1BACE2
SCHEMBL7537447 0.89 BACE1 (0.60) BACE1BACE2KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232064-A1 ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2012-09-13 US disclosed
US-8168641-B2 Aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-01 US disclosed
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2007-12-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120232064-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 BACE1 3/4885BACE2 16/4885KCNH2 3402/4885
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 BACE1 3/4885BACE2 16/4885KCNH2 3402/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.